Vitas-M small molecule compound
4-[(4-chlorophenyl){2-[4-(ethoxycarbonyl)-1,3-thiazol-2-yl]-3-oxo-5-(trifluoromethyl)-2,3-dihydropyrazol-1-id-4-yl}methyl]-2-[4-(ethoxycarbonyl)-1,3-thiazol-2-yl]-5-oxo-3-(trifluoromethyl)-2,5-dihydropyrazol-1-ide
Catalog ID
STL439601
SMILES CCOC(=O)c1csc(n1)n1[n-]c(c(c1=O)C(c1c(=O)[n-]n(c1C(F)(F)F)c1scc(n1)C(=O)OCC)c1ccc(cc1)Cl)C(F)(F)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H17ClF6N6O6S2 MW 735.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClF6N6O6S2/c1-3-45-22(43)13-9-47-24(35-13)39-19(27(32,33)34)17(20(41)38-39)15(11-5-7-12(28)8-6-11)16-18(26(29,30)31)37-40(21(16)42)25-36-14(10-48-25)23(44)46-4-2/h5-10,15H,3-4H2,1-2H3,(H2,37,38,41,42)/p-2InChIKey
FWFXCCDLJYMKIB-UHFFFAOYSA-LSynonyms
4((4chlorophenyl)(2(4(ethoxycarbonyl)13thiazol2yl)3oxo5(trifluoromethyl)23dihydropyrazol1id4yl)methyl)2(4(ethoxycarbonyl)13thiazol2yl)5oxo3(trifluoromethyl)25dihydro
CCOC(=O)c1csc(n1)n1(n)c(c(c1=O)C(c1c(=O)(n)n(c1C(F)(F)F)c1scc(n1)C(=O)OCC)c1ccc(cc1)Cl)C(F)(F)F
ZINC000150667699
ZINC000150667701
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